Crystallography Open Database

Information card for entry 4347899

Preview

Coordinates	4347899.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn-INA-1
Formula	C54 H32 Mn4 N10 O17
Calculated formula	C54 H32 Mn4 N10 O17
Title of publication	Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.
Authors of publication	Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7200 - 7205
a	9.9545 ± 0.0003 Å
b	13.1364 ± 0.0004 Å
c	11.0094 ± 0.0003 Å
α	90°
β	101.703 ± 0.003°
γ	90°
Cell volume	1409.73 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232579 (current)	2019-11-23	cif/ Adding structures of 4347899, 4347900, 4347901, 4347902, 4347903, 4347904, 4347905, 4347906, 4347907 via cif-deposit CGI script.	4347899.cif